1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone

C16H23FN2O2 — CID 165354806

IUPAC1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
SMILESCCCCOc1ccc(C(=O)CN2CCNCC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-3-10-21-13-4-5-14(15(17)11-13)16(20)12-19-8-6-18-7-9-19/h4-5,11,18H,2-3,6-10,12H2,1H3
InChIKeyAIIVEJVOYWYRSD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.09
Rot. Bonds7

About 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone

1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone (PubChem CID 165354806) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
PubChem CID165354806
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
SMILESCCCCOc1ccc(C(=O)CN2CCNCC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-3-10-21-13-4-5-14(15(17)11-13)16(20)12-19-8-6-18-7-9-19/h4-5,11,18H,2-3,6-10,12H2,1H3
InChIKeyAIIVEJVOYWYRSD-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
4-butoxy-2-fluorobenzoate
CID 7015592
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
3-(2-fluoro-4-nonoxyphenyl)-3-oxopropanoic acid
CID 170887023
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
CID 22355888
2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone
CID 170896252
1-(2-bromo-5-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 83988773
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone
CID 116559534

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone (CID 165354806) is 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone is CCCCOc1ccc(C(=O)CN2CCNCC2)c(F)c1.
What is the InChIKey of 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone?
The InChIKey is AIIVEJVOYWYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-3-10-21-13-4-5-14(15(17)11-13)16(20)12-19-8-6-18-7-9-19/h4-5,11,18H,2-3,6-10,12H2,1H3.
What are the key properties of 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone?
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone has a molecular weight of 294.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 165354806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).